CTK5F3611
TL;DR: CTK5F3611 (CAS 84964-87-4) is a chemical compound with molecular formula C30H36N2O9S and molecular weight 600.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);2-[4-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: 3-Ethyl-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate), 1-Piperazineethanol, 4-(10,11-dihydro-7-ethyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2) (salt), 3-ETHYL-11-(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)-10,11-DIHYDRODIBENZO[B,F]THI EPIN BIS(MALEATE)
| Molecular Formula | C30H36N2O9S |
|---|---|
| Molecular Weight | 600.21 g/mol |
| LogP | 3.0309 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.2142 |
| Heavy Atoms | 42 |
| Complexity | 1221.2908 |
Chemical Identifiers
| CAS Number | 84964-87-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5F3611 (CAS 84964-87-4), with molecular formula C30H36N2O9S and molecular weight 600.21 g/mol. IUPAC: bis(but-2-enedioic acid);2-[4-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of CTK5F3611
Property Insights of CTK5F3611
The XLogP value of 3.0309 indicates that CTK5F3611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting CTK5F3611 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5F3611 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5F3611?
The CAS number of CTK5F3611 is 84964-87-4.
What is the molecular formula of CTK5F3611?
The molecular formula of CTK5F3611 is C30H36N2O9S.
What is the molecular weight of CTK5F3611?
The molecular weight of CTK5F3611 is 600.21 g/mol.
Where can I buy CTK5F3611?
You can request a quote for CTK5F3611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F3611?
Yes, KEHONG BIO provides custom synthesis services for CTK5F3611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.